(4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone

C27H40N4O2 — CID 73334265

IUPAC(4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C27H40N4O2/c32-26(30-17-9-22(10-18-30)21-7-13-28-14-8-21)23-3-5-24(6-4-23)27(33)31-19-11-25(12-20-31)29-15-1-2-16-29/h3-6,21-22,25,28H,1-2,7-20H2
InChIKeyHBENUOUZAKVLTQ-UHFFFAOYSA-N
MW452.64 g/mol
LogP3.24
Rot. Bonds4

About (4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone

(4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone (PubChem CID 73334265) has the molecular formula C27H40N4O2 and a molecular weight of 452.64 g/mol. Its IUPAC name is (4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone.

Molecular Properties

Compound Name(4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone
PubChem CID73334265
Molecular FormulaC27H40N4O2
Molecular Weight452.64 g/mol
Exact Mass452.32
IUPAC Name(4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C27H40N4O2/c32-26(30-17-9-22(10-18-30)21-7-13-28-14-8-21)23-3-5-24(6-4-23)27(33)31-19-11-25(12-20-31)29-15-1-2-16-29/h3-6,21-22,25,28H,1-2,7-20H2
InChIKeyHBENUOUZAKVLTQ-UHFFFAOYSA-N
XLogP3.24
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.64
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone with MolForge

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Related Compounds

N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
N1,N3-Bis(2,2,6,6-tetramethylpiperidin-4-YL)isophthalamide
CID 6451919
4-[(R)-(S)-8-Aza-bicyclo[3.2.1]oct-(3Z)-ylidene-phenyl-methyl]-N,N-diethyl-benzamide
CID 9820950
N-ethyl-4-((8-phenethyl-8-azabicyclo(3.2.1)oct-3-ylidene)phenylmethyl)benzamide
CID 10225885
4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 877392
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methylbenzamide
CID 14783864
N-(1-Acetylpiperidin-4-yl)benzamide
CID 20754800
N-ethyl-4-[phenyl-[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
CID 9889993
N-cycloheptyl-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 804288
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 2977354
4-methyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)benzamide
CID 5241645
4-propan-2-yl-N-[3-[4-[3-[(4-propan-2-ylbenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2931509

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone?
The IUPAC name of (4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone (CID 73334265) is (4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone.
What is the SMILES notation for (4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone?
The canonical SMILES for (4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone is O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(C2CCNCC2)CC1.
What is the InChIKey of (4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone?
The InChIKey is HBENUOUZAKVLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O2/c32-26(30-17-9-22(10-18-30)21-7-13-28-14-8-21)23-3-5-24(6-4-23)27(33)31-19-11-25(12-20-31)29-15-1-2-16-29/h3-6,21-22,25,28H,1-2,7-20H2.
What are the key properties of (4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone?
(4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone has a molecular weight of 452.64 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone is sourced from PubChem (CID 73334265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).