(3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C22H33N5O3 — CID 96575804

IUPAC(3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(C(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C22H33N5O3/c28-21(24-16-18-3-1-7-23-15-18)19-4-2-8-27(17-19)20-5-9-25(10-6-20)22(29)26-11-13-30-14-12-26/h1,3,7,15,19-20H,2,4-6,8-14,16-17H2,(H,24,28)/t19-/m0/s1
InChIKeyPMOJZAWOOAEWCW-IBGZPJMESA-N
MW415.54 g/mol
LogP1.33
Rot. Bonds4

About (3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

(3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 96575804) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is (3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID96575804
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name(3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(C(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C22H33N5O3/c28-21(24-16-18-3-1-7-23-15-18)19-4-2-8-27(17-19)20-5-9-25(10-6-20)22(29)26-11-13-30-14-12-26/h1,3,7,15,19-20H,2,4-6,8-14,16-17H2,(H,24,28)/t19-/m0/s1
InChIKeyPMOJZAWOOAEWCW-IBGZPJMESA-N
XLogP1.33
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70721657
(3R)-1-[1-(3-hydroxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95215208
(3R)-1-[1-[2-(carbamoylamino)acetyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96574126
N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56868752
(3S)-1-[1-(pyridazine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95552529
1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70755941
(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95539325
(3R)-1-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96573564
1-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 56864966
(3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96573291
(3R)-1-[1-(4-methylpentyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95455862
1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 56863504

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 96575804) is (3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(C(=O)N3CCOCC3)CC2)C1.
What is the InChIKey of (3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is PMOJZAWOOAEWCW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H33N5O3/c28-21(24-16-18-3-1-7-23-15-18)19-4-2-8-27(17-19)20-5-9-25(10-6-20)22(29)26-11-13-30-14-12-26/h1,3,7,15,19-20H,2,4-6,8-14,16-17H2,(H,24,28)/t19-/m0/s1.
What are the key properties of (3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
(3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 96575804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).