[6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C21H33N5O2 — CID 95226446

IUPAC[6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCN1CCC[C@H](Nc2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)C1
InChIInChI=1S/C21H33N5O2/c1-24-8-2-3-18(16-24)23-20-5-4-17(15-22-20)21(27)26-9-6-19(7-10-26)25-11-13-28-14-12-25/h4-5,15,18-19H,2-3,6-14,16H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyLQIPKGZYEDBKEF-SFHVURJKSA-N
MW387.53 g/mol
LogP1.52
Rot. Bonds4

About [6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 95226446) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is [6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID95226446
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name[6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCN1CCC[C@H](Nc2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)C1
InChIInChI=1S/C21H33N5O2/c1-24-8-2-3-18(16-24)23-20-5-4-17(15-22-20)21(27)26-9-6-19(7-10-26)25-11-13-28-14-12-25/h4-5,15,18-19H,2-3,6-14,16H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyLQIPKGZYEDBKEF-SFHVURJKSA-N
XLogP1.52
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[6-(cyclopropylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742496
(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone
CID 95217183
[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56744422
N-[2-[[5-(4-morpholin-4-ylpiperidine-1-carbonyl)-2-pyridinyl]amino]ethyl]acetamide
CID 56742452
(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone
CID 95226251
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56739291
[6-(1-methoxybutan-2-ylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742699
[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56745433
6-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 61465352
acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 171687261
[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 123921823
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56758492

Frequently Asked Questions

What is the IUPAC name of [6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 95226446) is [6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is CN1CCC[C@H](Nc2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)C1.
What is the InChIKey of [6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is LQIPKGZYEDBKEF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-24-8-2-3-18(16-24)23-20-5-4-17(15-22-20)21(27)26-9-6-19(7-10-26)25-11-13-28-14-12-25/h4-5,15,18-19H,2-3,6-14,16H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of [6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 387.53 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[(3S)-1-methylpiperidin-3-yl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 95226446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).