1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride

C15H29Cl2N3O2 — CID 119886673

IUPAC1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCC2(N3CCCCC3)CCOCC2)CC1
InChIInChI=1S/C15H27N3O2.2ClH/c16-15(4-5-15)13(19)17-12-14(6-10-20-11-7-14)18-8-2-1-3-9-18;;/h1-12,16H2,(H,17,19);2*1H
InChIKeyNBMLRPGXGOIPRU-UHFFFAOYSA-N
MW354.32 g/mol
LogP1.47
Rot. Bonds4

About 1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119886673) has the molecular formula C15H29Cl2N3O2 and a molecular weight of 354.32 g/mol. Its IUPAC name is 1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119886673
Molecular FormulaC15H29Cl2N3O2
Molecular Weight354.32 g/mol
Exact Mass353.16
IUPAC Name1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCC2(N3CCCCC3)CCOCC2)CC1
InChIInChI=1S/C15H27N3O2.2ClH/c16-15(4-5-15)13(19)17-12-14(6-10-20-11-7-14)18-8-2-1-3-9-18;;/h1-12,16H2,(H,17,19);2*1H
InChIKeyNBMLRPGXGOIPRU-UHFFFAOYSA-N
XLogP1.47
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]oxane-4-carboxamide
CID 120941156
1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119862780
(2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
CID 119886716
4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120941831
1-amino-N-[(4-methyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 103798079
4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide
CID 120941832
1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119883003
(3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide
CID 95621514
N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide
CID 119886746
(2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
CID 95619748
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439913
3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 119953909

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride (CID 119886673) is 1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NCC2(N3CCCCC3)CCOCC2)CC1.
What is the InChIKey of 1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is NBMLRPGXGOIPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.2ClH/c16-15(4-5-15)13(19)17-12-14(6-10-20-11-7-14)18-8-2-1-3-9-18;;/h1-12,16H2,(H,17,19);2*1H.
What are the key properties of 1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 354.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119886673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).