[4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone

C20H29N3O — CID 154870417

IUPAC[4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone
SMILESO=C(C1CCC2(CCC2)CC1)N1CCC(Nc2ccncc2)CC1
InChIInChI=1S/C20H29N3O/c24-19(16-2-10-20(11-3-16)8-1-9-20)23-14-6-18(7-15-23)22-17-4-12-21-13-5-17/h4-5,12-13,16,18H,1-3,6-11,14-15H2,(H,21,22)
InChIKeyQNLQLLWFMKZRCM-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.85
Rot. Bonds3

About [4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone

[4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone (PubChem CID 154870417) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is [4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone.

Molecular Properties

Compound Name[4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone
PubChem CID154870417
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name[4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone
SMILESO=C(C1CCC2(CCC2)CC1)N1CCC(Nc2ccncc2)CC1
InChIInChI=1S/C20H29N3O/c24-19(16-2-10-20(11-3-16)8-1-9-20)23-14-6-18(7-15-23)22-17-4-12-21-13-5-17/h4-5,12-13,16,18H,1-3,6-11,14-15H2,(H,21,22)
InChIKeyQNLQLLWFMKZRCM-UHFFFAOYSA-N
XLogP3.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
[4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone
CID 133373916
(4-fluorophenyl)-[1-(spiro[3.5]nonane-7-carbonyl)piperidin-4-yl]methanone
CID 154877652
2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-1-[4-(pyridin-4-ylamino)piperidin-1-yl]ethanone
CID 167952632
[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 68722687
N-(4-chlorocyclohexyl)pyridin-4-amine
CID 65027641
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
7-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]spiro[2,3-dihydroisoquinoline-4,1'-cyclopentane]-1-one
CID 155454359
2-pyrazolo[1,5-a]pyridin-3-yl-1-[4-(pyridin-4-ylamino)piperidin-1-yl]ethanone
CID 166281873
[3-(benzenesulfonyl)pyrrolidin-1-yl]-spiro[3.5]nonan-7-ylmethanone
CID 154870125

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone?
The IUPAC name of [4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone (CID 154870417) is [4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone.
What is the SMILES notation for [4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone?
The canonical SMILES for [4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone is O=C(C1CCC2(CCC2)CC1)N1CCC(Nc2ccncc2)CC1.
What is the InChIKey of [4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone?
The InChIKey is QNLQLLWFMKZRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c24-19(16-2-10-20(11-3-16)8-1-9-20)23-14-6-18(7-15-23)22-17-4-12-21-13-5-17/h4-5,12-13,16,18H,1-3,6-11,14-15H2,(H,21,22).
What are the key properties of [4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone?
[4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone has a molecular weight of 327.47 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone is sourced from PubChem (CID 154870417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).