1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea

C21H35N5O — CID 55746957

IUPAC1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
SMILESCC1CCCN(C(C)CNC(=O)NCc2ccc(N3CCCCC3)nc2)C1
InChIInChI=1S/C21H35N5O/c1-17-7-6-12-26(16-17)18(2)13-23-21(27)24-15-19-8-9-20(22-14-19)25-10-4-3-5-11-25/h8-9,14,17-18H,3-7,10-13,15-16H2,1-2H3,(H2,23,24,27)
InChIKeyZPOCSGQOEDYRQO-UHFFFAOYSA-N
MW373.55 g/mol
LogP2.99
Rot. Bonds6

About 1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea

1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea (PubChem CID 55746957) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
PubChem CID55746957
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
SMILESCC1CCCN(C(C)CNC(=O)NCc2ccc(N3CCCCC3)nc2)C1
InChIInChI=1S/C21H35N5O/c1-17-7-6-12-26(16-17)18(2)13-23-21(27)24-15-19-8-9-20(22-14-19)25-10-4-3-5-11-25/h8-9,14,17-18H,3-7,10-13,15-16H2,1-2H3,(H2,23,24,27)
InChIKeyZPOCSGQOEDYRQO-UHFFFAOYSA-N
XLogP2.99
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea 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

1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[(2S)-2-cyclopropyl-2-hydroxyethyl]urea
CID 97310846
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111504542
N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55055089
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
1-[2-(dimethylamino)-2-phenylethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 55739594
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 109389753
2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119399590
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110892395
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 119846498
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36513862

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea (CID 55746957) is 1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea is CC1CCCN(C(C)CNC(=O)NCc2ccc(N3CCCCC3)nc2)C1.
What is the InChIKey of 1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is ZPOCSGQOEDYRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-17-7-6-12-26(16-17)18(2)13-23-21(27)24-15-19-8-9-20(22-14-19)25-10-4-3-5-11-25/h8-9,14,17-18H,3-7,10-13,15-16H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea?
1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 373.55 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylpiperidin-1-yl)propyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 55746957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).