2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride

C17H28Cl2N4O — CID 154925020

IUPAC2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
SMILESCl.Cl.O=C1CCC2(CCNCC2)CN1CCCNc1cccnc1
InChIInChI=1S/C17H26N4O.2ClH/c22-16-4-5-17(6-10-18-11-7-17)14-21(16)12-2-9-20-15-3-1-8-19-13-15;;/h1,3,8,13,18,20H,2,4-7,9-12,14H2;2*1H
InChIKeySFFHWQATEWGUFE-UHFFFAOYSA-N
MW375.34 g/mol
LogP2.72
Rot. Bonds5

About 2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride

2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride (PubChem CID 154925020) has the molecular formula C17H28Cl2N4O and a molecular weight of 375.34 g/mol. Its IUPAC name is 2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride.

Molecular Properties

Compound Name2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
PubChem CID154925020
Molecular FormulaC17H28Cl2N4O
Molecular Weight375.34 g/mol
Exact Mass374.16
IUPAC Name2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
SMILESCl.Cl.O=C1CCC2(CCNCC2)CN1CCCNc1cccnc1
InChIInChI=1S/C17H26N4O.2ClH/c22-16-4-5-17(6-10-18-11-7-17)14-21(16)12-2-9-20-15-3-1-8-19-13-15;;/h1,3,8,13,18,20H,2,4-7,9-12,14H2;2*1H
InChIKeySFFHWQATEWGUFE-UHFFFAOYSA-N
XLogP2.72
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1-[3-(pyridin-3-ylamino)propyl]piperidin-2-one
CID 97125961
(5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97131962
N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide
CID 72850449
2-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70784663
2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70776090
2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120718656
N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720360
9-(6-oxopiperazine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72939438
9-[(2S)-2-aminobutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
CID 154898118
2-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70773194
2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 154898207
9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97122526

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride?
The IUPAC name of 2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride (CID 154925020) is 2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride.
What is the SMILES notation for 2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride?
The canonical SMILES for 2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride is Cl.Cl.O=C1CCC2(CCNCC2)CN1CCCNc1cccnc1.
What is the InChIKey of 2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride?
The InChIKey is SFFHWQATEWGUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.2ClH/c22-16-4-5-17(6-10-18-11-7-17)14-21(16)12-2-9-20-15-3-1-8-19-13-15;;/h1,3,8,13,18,20H,2,4-7,9-12,14H2;2*1H.
What are the key properties of 2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride?
2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride has a molecular weight of 375.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride is sourced from PubChem (CID 154925020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).