6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione

C20H31N5O3 — CID 56873186

IUPAC6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=C(C1CCCN(C2CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)C1)N1CCCC1
InChIInChI=1S/C20H31N5O3/c26-18-12-16(21-20(28)22-18)14-23-10-5-17(6-11-23)25-9-3-4-15(13-25)19(27)24-7-1-2-8-24/h12,15,17H,1-11,13-14H2,(H2,21,22,26,28)
InChIKeyHBNXDEAFPHWWJP-UHFFFAOYSA-N
MW389.50 g/mol
LogP0.36
Rot. Bonds4

About 6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione

6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 56873186) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID56873186
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=C(C1CCCN(C2CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)C1)N1CCCC1
InChIInChI=1S/C20H31N5O3/c26-18-12-16(21-20(28)22-18)14-23-10-5-17(6-11-23)25-9-3-4-15(13-25)19(27)24-7-1-2-8-24/h12,15,17H,1-11,13-14H2,(H2,21,22,26,28)
InChIKeyHBNXDEAFPHWWJP-UHFFFAOYSA-N
XLogP0.36
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-({3-[4-(benzyloxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(2-thienyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
CID 53010393
1-methyl-N-(4-methylphenyl)-5-[4-methyl-5-(pyrrolidin-1-ylcarbonyl)-1,3-thiazol-2-yl]-1H-pyrrole-3-sulfonamide
CID 53010395
N-isopropyl-2-{7-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}acetamide
CID 53010407
1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-[2-(1-pyrrolidinyl)ethyl]-3-piperidinecarboxamide
CID 53010394
1-[6-oxo-4-(2-oxopiperidin-1-yl)-3-(2-oxopyrrolidin-1-yl)-1H-pyridin-2-yl]piperidine-2,6-dione
CID 173218503
N-(cyclopropylmethyl)-1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-3-carboxamide
CID 45826773
1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-[2-(1-piperidinyl)ethyl]-3-piperidinecarboxamide
CID 53010408
6-methyl-3-{2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl}pyrimidine-2,4(1H,3H)-dione
CID 56865755
6-{[3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]carbonyl}pyrimidine-2,4(1H,3H)-dione
CID 56876257
6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undec-9-yl)methyl]pyrimidine-2,4(1H,3H)-dione
CID 70749258
6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione
CID 70764910
6-methyl-3-{2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]ethyl}pyrimidine-2,4(1H,3H)-dione
CID 91843165

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione (CID 56873186) is 6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione is O=C(C1CCCN(C2CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)C1)N1CCCC1.
What is the InChIKey of 6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HBNXDEAFPHWWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c26-18-12-16(21-20(28)22-18)14-23-10-5-17(6-11-23)25-9-3-4-15(13-25)19(27)24-7-1-2-8-24/h12,15,17H,1-11,13-14H2,(H2,21,22,26,28).
What are the key properties of 6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 389.50 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56873186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).