[1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone

C25H33N5O — CID 23394192

IUPAC[1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone
SMILESNc1cnccc1CN1CCC(C(=O)N2CCC(N3CCc4ccccc43)CC2)CC1
InChIInChI=1S/C25H33N5O/c26-23-17-27-11-5-21(23)18-28-12-6-20(7-13-28)25(31)29-14-9-22(10-15-29)30-16-8-19-3-1-2-4-24(19)30/h1-5,11,17,20,22H,6-10,12-16,18,26H2
InChIKeyZAAVXRLHQLPXKC-UHFFFAOYSA-N
MW419.57 g/mol
LogP2.93
Rot. Bonds4

About [1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone

[1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone (PubChem CID 23394192) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is [1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone
PubChem CID23394192
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name[1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone
SMILESNc1cnccc1CN1CCC(C(=O)N2CCC(N3CCc4ccccc43)CC2)CC1
InChIInChI=1S/C25H33N5O/c26-23-17-27-11-5-21(23)18-28-12-6-20(7-13-28)25(31)29-14-9-22(10-15-29)30-16-8-19-3-1-2-4-24(19)30/h1-5,11,17,20,22H,6-10,12-16,18,26H2
InChIKeyZAAVXRLHQLPXKC-UHFFFAOYSA-N
XLogP2.93
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-1-pyridin-2-ylbut-1-enyl]piperidin-1-yl]methanone
CID 145470587
4-(azepan-1-ylmethyl)pyridin-3-amine
CID 117212629
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
CID 134801404
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)piperidin-1-yl]methanone
CID 44816346
[1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 90205765
1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 45019892
3-aminopyridine-4-carbaldehyde;ethyl 1-[(3-amino-4-pyridinyl)methyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate
CID 159438308
(4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
CID 134800699
4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine
CID 18321349
ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
CID 161158486
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006

Frequently Asked Questions

What is the IUPAC name of [1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone (CID 23394192) is [1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone is Nc1cnccc1CN1CCC(C(=O)N2CCC(N3CCc4ccccc43)CC2)CC1.
What is the InChIKey of [1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone?
The InChIKey is ZAAVXRLHQLPXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c26-23-17-27-11-5-21(23)18-28-12-6-20(7-13-28)25(31)29-14-9-22(10-15-29)30-16-8-19-3-1-2-4-24(19)30/h1-5,11,17,20,22H,6-10,12-16,18,26H2.
What are the key properties of [1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone?
[1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone has a molecular weight of 419.57 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 23394192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).