[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C24H36N4O2 — CID 73334262

IUPAC[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)CC1
InChIInChI=1S/C24H36N4O2/c1-25(2)21-9-15-27(16-10-21)23(29)19-5-7-20(8-6-19)24(30)28-17-11-22(12-18-28)26-13-3-4-14-26/h5-8,21-22H,3-4,9-18H2,1-2H3
InChIKeyYGOZJLJJKHNOBJ-UHFFFAOYSA-N
MW412.58 g/mol
LogP2.55
Rot. Bonds4

About [4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 73334262) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is [4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID73334262
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)CC1
InChIInChI=1S/C24H36N4O2/c1-25(2)21-9-15-27(16-10-21)23(29)19-5-7-20(8-6-19)24(30)28-17-11-22(12-18-28)26-13-3-4-14-26/h5-8,21-22H,3-4,9-18H2,1-2H3
InChIKeyYGOZJLJJKHNOBJ-UHFFFAOYSA-N
XLogP2.55
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bavisant
CID 16061509
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CID 6451919
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide hydrochloride
CID 10019926
N-{2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl}-N-methylbenzamide hydrochloride
CID 14553604
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide hydrochloride
CID 14783892
3-(4-Benzoylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 2877352
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
4-[(R)-(S)-8-Aza-bicyclo[3.2.1]oct-(3Z)-ylidene-phenyl-methyl]-N,N-diethyl-benzamide
CID 9820950
[4-(Azepan-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 10070496

Frequently Asked Questions

What is the IUPAC name of [4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 73334262) is [4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is CN(C)C1CCN(C(=O)c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)CC1.
What is the InChIKey of [4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is YGOZJLJJKHNOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-25(2)21-9-15-27(16-10-21)23(29)19-5-7-20(8-6-19)24(30)28-17-11-22(12-18-28)26-13-3-4-14-26/h5-8,21-22H,3-4,9-18H2,1-2H3.
What are the key properties of [4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 412.58 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 73334262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).