N-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide

C20H30ClN3O2 — CID 23291419

IUPACN-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide
SMILESCCCCN1CCC(CNC(=O)c2cc(Cl)cc3c2OCCC3)C(N)C1
InChIInChI=1S/C20H30ClN3O2/c1-2-3-7-24-8-6-15(18(22)13-24)12-23-20(25)17-11-16(21)10-14-5-4-9-26-19(14)17/h10-11,15,18H,2-9,12-13,22H2,1H3,(H,23,25)
InChIKeyYQQMIVMEEFMEBU-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.84
Rot. Bonds6

About N-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide

N-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide (PubChem CID 23291419) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is N-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide.

Molecular Properties

Compound NameN-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide
PubChem CID23291419
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC NameN-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide
SMILESCCCCN1CCC(CNC(=O)c2cc(Cl)cc3c2OCCC3)C(N)C1
InChIInChI=1S/C20H30ClN3O2/c1-2-3-7-24-8-6-15(18(22)13-24)12-23-20(25)17-11-16(21)10-14-5-4-9-26-19(14)17/h10-11,15,18H,2-9,12-13,22H2,1H3,(H,23,25)
InChIKeyYQQMIVMEEFMEBU-UHFFFAOYSA-N
XLogP2.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide?
The IUPAC name of N-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide (CID 23291419) is N-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide.
What is the SMILES notation for N-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide?
The canonical SMILES for N-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide is CCCCN1CCC(CNC(=O)c2cc(Cl)cc3c2OCCC3)C(N)C1.
What is the InChIKey of N-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide?
The InChIKey is YQQMIVMEEFMEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O2/c1-2-3-7-24-8-6-15(18(22)13-24)12-23-20(25)17-11-16(21)10-14-5-4-9-26-19(14)17/h10-11,15,18H,2-9,12-13,22H2,1H3,(H,23,25).
What are the key properties of N-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide?
N-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide has a molecular weight of 379.93 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide is sourced from PubChem (CID 23291419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).