(3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone

C19H33N5O2 — CID 120997458

IUPAC(3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C19H33N5O2/c25-18(24-12-5-17(15-24)21-13-6-20-7-14-21)16-3-10-23(11-4-16)19(26)22-8-1-2-9-22/h16-17,20H,1-15H2
InChIKeyYOJQOLQBLZETJT-UHFFFAOYSA-N
MW363.51 g/mol
LogP0.42
Rot. Bonds2

About (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone

(3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone (PubChem CID 120997458) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
PubChem CID120997458
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name(3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C19H33N5O2/c25-18(24-12-5-17(15-24)21-13-6-20-7-14-21)16-3-10-23(11-4-16)19(26)22-8-1-2-9-22/h16-17,20H,1-15H2
InChIKeyYOJQOLQBLZETJT-UHFFFAOYSA-N
XLogP0.42
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 53506473
1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide
CID 71989763
2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493805
4-(1-methylpiperidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboxamide
CID 172433199
N-cyclopentyl-4-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 134799365
3,3-diamino-2-(5-fluoro-1-pentyl-1,3-diazinan-2-yl)-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]propanamide
CID 155150889
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 56217021
1-(N-cyclopentylcarbamoyl)-4-piperidylpiperidine-4-carboxamide
CID 16645748
1-(1-Propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea
CID 71849526
3-[1-[2-(Diethylamino)acetyl]piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620509
1-[4-(Pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 18314259
3-(2-Methylpropyl)-1-propyl-9-(pyrrolidine-1-carbonyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 21927466

Frequently Asked Questions

What is the IUPAC name of (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone (CID 120997458) is (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone is O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCC(N2CCNCC2)C1.
What is the InChIKey of (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
The InChIKey is YOJQOLQBLZETJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c25-18(24-12-5-17(15-24)21-13-6-20-7-14-21)16-3-10-23(11-4-16)19(26)22-8-1-2-9-22/h16-17,20H,1-15H2.
What are the key properties of (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
(3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone has a molecular weight of 363.51 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 120997458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).