cyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid

C14H25N3O2 — CID 118163553

IUPACcyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid
SMILESO=C(O)N(C1CC1)C1CCNCC1C1CCCNC1
InChIInChI=1S/C14H25N3O2/c18-14(19)17(11-3-4-11)13-5-7-16-9-12(13)10-2-1-6-15-8-10/h10-13,15-16H,1-9H2,(H,18,19)
InChIKeyCLNKWIOYXVETRL-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.11
Rot. Bonds3

About cyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid

cyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid (PubChem CID 118163553) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is cyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Namecyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid
PubChem CID118163553
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Namecyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid
SMILESO=C(O)N(C1CC1)C1CCNCC1C1CCCNC1
InChIInChI=1S/C14H25N3O2/c18-14(19)17(11-3-4-11)13-5-7-16-9-12(13)10-2-1-6-15-8-10/h10-13,15-16H,1-9H2,(H,18,19)
InChIKeyCLNKWIOYXVETRL-UHFFFAOYSA-N
XLogP1.11
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid
CID 71093751
3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid
CID 134211094
(3R)-3-(azetidin-3-yl)piperidine
CID 172571282
N-cyclopropyl-N-pyrrolidin-3-ylacetamide
CID 66569466
(3S)-3-cyclohexylpiperidine
CID 7016473
3-cyclobutylpiperidine-4-carboxylic acid
CID 84769140
4-piperidin-3-ylcyclohexan-1-one
CID 130987031
2-[(3S)-piperidin-3-yl]oxane-4-carboxamide
CID 162703263
(4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid
CID 178194493
(3aS)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrole;oxalic acid
CID 67720271
[(3R)-piperidin-3-yl]-propan-2-ylcarbamic acid
CID 66860335
piperidin-3-yl(propan-2-yl)carbamic acid
CID 68784521

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid?
The IUPAC name of cyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid (CID 118163553) is cyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for cyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid?
The canonical SMILES for cyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid is O=C(O)N(C1CC1)C1CCNCC1C1CCCNC1.
What is the InChIKey of cyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid?
The InChIKey is CLNKWIOYXVETRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c18-14(19)17(11-3-4-11)13-5-7-16-9-12(13)10-2-1-6-15-8-10/h10-13,15-16H,1-9H2,(H,18,19).
What are the key properties of cyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid?
cyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid has a molecular weight of 267.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 118163553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).